(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine

C10H11FN4 — CID 107977396

IUPAC(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccncc2F)c1
InChIInChI=1S/C10H11FN4/c1-15-5-9(14-6-15)10(12)7-2-3-13-4-8(7)11/h2-6,10H,12H2,1H3
InChIKeyOLKHAFVDBPECPZ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.00
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine

(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine (PubChem CID 107977396) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine
PubChem CID107977396
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccncc2F)c1
InChIInChI=1S/C10H11FN4/c1-15-5-9(14-6-15)10(12)7-2-3-13-4-8(7)11/h2-6,10H,12H2,1H3
InChIKeyOLKHAFVDBPECPZ-UHFFFAOYSA-N
XLogP1.00
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974964
(3-fluoro-4-pyridinyl)-(5-methylpyrazin-2-yl)methanamine
CID 105182010
(3-fluoro-4-pyridinyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105181986
(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
CID 114023159
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
CID 107977933
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methanamine
CID 107978063
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 82822647
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977950
(2-tert-butylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038455

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine (CID 107977396) is (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine is Cn1cnc(C(N)c2ccncc2F)c1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine?
The InChIKey is OLKHAFVDBPECPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-15-5-9(14-6-15)10(12)7-2-3-13-4-8(7)11/h2-6,10H,12H2,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine?
(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107977396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).